SCHEMBL6128482

SCHEMBL6128482

NC1CCCN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
DPP4 P27487 5/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ACHE P22303 1/20 0.45
ALDH1A1 P00352 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2223753 0.91 DPP4 (0.53) L3MBTL1DPP4HPGDTSHRKMT2A
SCHEMBL25231697 0.91 DPP4 (0.53) L3MBTL1DPP4HPGDTSHRKMT2A
SCHEMBL25237209 0.91 DPP4 (0.53) L3MBTL1DPP4HPGDTSHRKMT2A
SCHEMBL27603657 0.81 HPGD (0.64) L3MBTL1DPP4HPGDTSHRALDH1A1
SCHEMBL11021735 0.81 HPGD (0.64) L3MBTL1DPP4HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL5412784 0.80 HPGD (0.62) L3MBTL1DPP4HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL6872103 0.80 HPGD (0.62) L3MBTL1DPP4HPGDTSHRALDH1A1
SCHEMBL2730960 0.78 L3MBTL1 (0.52) L3MBTL1DPP4HPGDTSHRKMT2A
SCHEMBL6202280 0.78 L3MBTL1 (0.51) L3MBTL1HPGDTSHRKMT2AMEN1
SCHEMBL6128481 0.77 L3MBTL1 (0.48) L3MBTL1DPP4HPGDTSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058128-A2 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed